1-(5-propan-2-yloxy-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol

C13H17F4NO3 — CID 103474001

IUPAC1-(5-propan-2-yloxy-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
SMILESCC(C)Oc1cncc(C(O)COCC(F)(F)C(F)F)c1
InChIInChI=1S/C13H17F4NO3/c1-8(2)21-10-3-9(4-18-5-10)11(19)6-20-7-13(16,17)12(14)15/h3-5,8,11-12,19H,6-7H2,1-2H3
InChIKeyFFTSMGXQKPBHQU-UHFFFAOYSA-N
MW311.28 g/mol
LogP2.82
Rot. Bonds8

About 1-(5-propan-2-yloxy-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol

1-(5-propan-2-yloxy-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol (PubChem CID 103474001) has the molecular formula C13H17F4NO3 and a molecular weight of 311.28 g/mol. Its IUPAC name is 1-(5-propan-2-yloxy-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol.

Molecular Properties

Compound Name1-(5-propan-2-yloxy-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
PubChem CID103474001
Molecular FormulaC13H17F4NO3
Molecular Weight311.28 g/mol
Exact Mass311.11
IUPAC Name1-(5-propan-2-yloxy-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
SMILESCC(C)Oc1cncc(C(O)COCC(F)(F)C(F)F)c1
InChIInChI=1S/C13H17F4NO3/c1-8(2)21-10-3-9(4-18-5-10)11(19)6-20-7-13(16,17)12(14)15/h3-5,8,11-12,19H,6-7H2,1-2H3
InChIKeyFFTSMGXQKPBHQU-UHFFFAOYSA-N
XLogP2.82
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3,5,5-trimethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-ol
CID 115829422
3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
CID 103148933
2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol
CID 103547597
3-cyclohexyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-ol
CID 115829399
1-[3-(2-methylpropyl)phenyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474140
[1-(5-methyl-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 103477544
2-ethoxy-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-ol
CID 116752280
1-(2-fluoro-4-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473939
[3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butyl]hydrazine
CID 105220430
1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 106881222
1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473992
2-ethoxy-3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine
CID 116725313

Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-yloxy-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The IUPAC name of 1-(5-propan-2-yloxy-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol (CID 103474001) is 1-(5-propan-2-yloxy-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol.
What is the SMILES notation for 1-(5-propan-2-yloxy-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The canonical SMILES for 1-(5-propan-2-yloxy-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol is CC(C)Oc1cncc(C(O)COCC(F)(F)C(F)F)c1.
What is the InChIKey of 1-(5-propan-2-yloxy-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The InChIKey is FFTSMGXQKPBHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4NO3/c1-8(2)21-10-3-9(4-18-5-10)11(19)6-20-7-13(16,17)12(14)15/h3-5,8,11-12,19H,6-7H2,1-2H3.
What are the key properties of 1-(5-propan-2-yloxy-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
1-(5-propan-2-yloxy-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol has a molecular weight of 311.28 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-yloxy-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol is sourced from PubChem (CID 103474001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).